N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide

C15H22N4O2S2 — CID 20647122

IUPACN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H22N4O2S2/c1-2-23(20,21)18-11-6-3-5-10-17-15-19-14(12-22-15)13-8-4-7-9-16-13/h4,7-9,12,18H,2-3,5-6,10-11H2,1H3,(H,17,19)
InChIKeyFHIYQYDVDZHAFM-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.73
Rot. Bonds10

About N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide

N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide (PubChem CID 20647122) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide
PubChem CID20647122
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H22N4O2S2/c1-2-23(20,21)18-11-6-3-5-10-17-15-19-14(12-22-15)13-8-4-7-9-16-13/h4,7-9,12,18H,2-3,5-6,10-11H2,1H3,(H,17,19)
InChIKeyFHIYQYDVDZHAFM-UHFFFAOYSA-N
XLogP2.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide?
The IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide (CID 20647122) is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide?
The canonical SMILES for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide is CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide?
The InChIKey is FHIYQYDVDZHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-2-23(20,21)18-11-6-3-5-10-17-15-19-14(12-22-15)13-8-4-7-9-16-13/h4,7-9,12,18H,2-3,5-6,10-11H2,1H3,(H,17,19).
What are the key properties of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide?
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide has a molecular weight of 354.50 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide is sourced from PubChem (CID 20647122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).